(4aS,5S,8S,8aS)-5,8-dihydroxy-3,5,8a-trimethyl-6,7,8,9-tetrahydro-4aH-benzo[f][1]benzofuran-4-one
| Internal ID | 6be9528d-4e54-4d0f-88ff-47168a02f92a |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids |
| IUPAC Name | (4aS,5S,8S,8aS)-5,8-dihydroxy-3,5,8a-trimethyl-6,7,8,9-tetrahydro-4aH-benzo[f][1]benzofuran-4-one |
| SMILES (Canonical) | CC1=COC2=C1C(=O)C3C(CCC(C3(C2)C)O)(C)O |
| SMILES (Isomeric) | CC1=COC2=C1C(=O)[C@@H]3[C@@](CC[C@@H]([C@]3(C2)C)O)(C)O |
| InChI | InChI=1S/C15H20O4/c1-8-7-19-9-6-14(2)10(16)4-5-15(3,18)13(14)12(17)11(8)9/h7,10,13,16,18H,4-6H2,1-3H3/t10-,13-,14+,15-/m0/s1 |
| InChI Key | QXEXMTIZXNCRJO-HPEDKQMDSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H20O4 |
| Molecular Weight | 264.32 g/mol |
| Exact Mass | 264.13615911 g/mol |
| Topological Polar Surface Area (TPSA) | 70.70 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
![2D Structure of (4aS,5S,8S,8aS)-5,8-dihydroxy-3,5,8a-trimethyl-6,7,8,9-tetrahydro-4aH-benzo[f][1]benzofuran-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/4as5s8s8as-58-dihydroxy-358a-trimethyl-6789-tetrahydro-4ah-benzof1benzofuran-4-one.jpg "2D Structure of (4aS,5S,8S,8aS)-5,8-dihydroxy-3,5,8a-trimethyl-6,7,8,9-tetrahydro-4aH-benzo[f][1]benzofuran-4-one")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.24% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.66% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.08% | 91.11% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 92.02% | 96.38% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.41% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.43% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.38% | 100.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 87.53% | 96.21% |
| CHEMBL1871 | P10275 | Androgen Receptor | 86.67% | 96.43% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.30% | 93.04% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.20% | 95.89% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.31% | 93.03% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 81.23% | 92.98% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.58% | 94.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.24% | 99.23% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Curcuma zedoaria |
| PubChem | 133613125 |
| LOTUS | LTS0079744 |
| wikiData | Q105229568 |